Natural Product: NPC208333

Natural Product ID:  NPC208333
Common Name:   n.a.
IUPAC Name:  
Synonyms:  
Molecular Formula:   C37H58O10
Standard InCHIKey:  IHEJMZHKJYHVFF-JUKRZFGDSA-N
Standard InCHI:  InChI=1S/C37H58O10/c1-18(15-21(45-19(2)38)30-33(5,6)47-30)25-27(41)29(43)35(8)23-10-9-22-32(3,4)24(46-31-28(42)26(40)20(39)16-44-31)11-12-36(22)17-37(23,36)14-13-34(25,35)7/h18,20-26,28-31,39-40,42-43H,9-17H2,1-8H3/t18-,20-,21-,22+,23+,24+,25+,26+,28-,29+,30+,31+,34-,35-,36-,37+/m1/s1
Canonical SMILES:  CC(=O)O[C@@H]([C@@H]1OC1(C)C)C[C@H]([C@H]1C(=O)[C@@H]([C@@]2([C@]1(C)CC[C@@]13[C@H]2CC[C@@H]2[C@]3(C1)CC[C@@H](C2(C)C)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)C)O)C
First Find Year:  
Max Developmental Stage:  
Synthetic Gene Cluster:   ;

  Species Source

Organism ID Organism Name Taxonomy Level Family SuperKingdom Isolation Part Collection Location Collection Time Reference
NPO525 Actaea racemosa Species Ranunculaceae Eukaryota Rhizomes PMID[21082802]
NPO29620 Cimicifugae rhizoma NA NA NA TCMSP*
NPO8936 Actaea japonica Species Ranunculaceae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT367 Cell Line MDA-N Homo sapiens GI50 19319.68 nM PubChem BioAssay data set
NPT368 Cell Line SN12C Homo sapiens GI50 18879.91 nM PubChem BioAssay data set
NPT370 Cell Line NCI-H23 Homo sapiens GI50 23878.11 nM PubChem BioAssay data set
NPT369 Cell Line ACHN Homo sapiens GI50 13995.87 nM PubChem BioAssay data set
NPT371 Cell Line UO-31 Homo sapiens GI50 22855.99 nM PubChem BioAssay data set
NPT372 Cell Line HOP-92 Homo sapiens GI50 16904.41 nM PubChem BioAssay data set
NPT116 Cell Line HL-60 Homo sapiens GI50 2208 nM PubChem BioAssay data set
NPT374 Cell Line SF-539 Homo sapiens GI50 16292.96 nM PubChem BioAssay data set
NPT90 Cell Line DU-145 Homo sapiens GI50 18967.06 nM PubChem BioAssay data set
NPT373 Cell Line SK-MEL-5 Homo sapiens GI50 16143.59 nM PubChem BioAssay data set
NPT375 Cell Line Malme-3M Homo sapiens GI50 17179.08 nM PubChem BioAssay data set
NPT111 Cell Line K562 Homo sapiens GI50 139.64 nM PubChem BioAssay data set
NPT376 Cell Line A498 Homo sapiens GI50 15885.47 nM PubChem BioAssay data set
NPT377 Cell Line OVCAR-3 Homo sapiens GI50 2290.87 nM PubChem BioAssay data set
NPT379 Cell Line HOP-62 Homo sapiens GI50 12078.14 nM PubChem BioAssay data set
NPT378 Cell Line NCI/ADR-RES Homo sapiens GI50 47315.13 nM PubChem BioAssay data set
NPT380 Cell Line U-251 Homo sapiens GI50 16330.52 nM PubChem BioAssay data set
NPT381 Cell Line OVCAR-8 Homo sapiens GI50 20183.66 nM PubChem BioAssay data set
NPT382 Cell Line OVCAR-5 Homo sapiens GI50 16904.41 nM PubChem BioAssay data set
NPT383 Cell Line SNB-19 Homo sapiens GI50 20090.93 nM PubChem BioAssay data set
NPT82 Cell Line MDA-MB-231 Homo sapiens GI50 16143.59 nM PubChem BioAssay data set
NPT384 Cell Line TK-10 Homo sapiens GI50 16255.49 nM PubChem BioAssay data set
NPT323 Cell Line SW-620 Homo sapiens GI50 32433.96 nM PubChem BioAssay data set
NPT455 Cell Line NCI-H522 Homo sapiens GI50 17378.01 nM PubChem BioAssay data set
NPT386 Cell Line KM12 Homo sapiens GI50 22181.96 nM PubChem BioAssay data set
NPT387 Cell Line M14 Homo sapiens GI50 31117.16 nM PubChem BioAssay data set
NPT388 Cell Line NCI-H322M Homo sapiens GI50 19588.45 nM PubChem BioAssay data set
NPT389 Cell Line RPMI-8226 Homo sapiens GI50 12387.97 nM PubChem BioAssay data set
NPT456 Cell Line OVCAR-4 Homo sapiens GI50 22438.82 nM PubChem BioAssay data set
NPT457 Cell Line BT-549 Homo sapiens GI50 21928.05 nM PubChem BioAssay data set
NPT390 Cell Line LOX IMVI Homo sapiens GI50 30338.91 nM PubChem BioAssay data set
NPT147 Cell Line SK-MEL-2 Homo sapiens GI50 16032.45 nM PubChem BioAssay data set
NPT81 Cell Line A549 Homo sapiens GI50 27925.44 nM PubChem BioAssay data set
NPT392 Cell Line SNB-75 Homo sapiens GI50 12078.14 nM PubChem BioAssay data set
NPT391 Cell Line HCC 2998 Homo sapiens GI50 16255.49 nM PubChem BioAssay data set
NPT148 Cell Line HCT-15 Homo sapiens GI50 24603.68 nM PubChem BioAssay data set
NPT393 Cell Line HCT-116 Homo sapiens GI50 18071.74 nM PubChem BioAssay data set
NPT395 Cell Line SF-268 Homo sapiens GI50 20701.41 nM PubChem BioAssay data set
NPT394 Cell Line EKVX Homo sapiens GI50 18030.18 nM PubChem BioAssay data set
NPT83 Cell Line MCF7 Homo sapiens GI50 17864.88 nM PubChem BioAssay data set
NPT306 Cell Line PC-3 Homo sapiens GI50 15170.5 nM PubChem BioAssay data set
NPT396 Cell Line T47D Homo sapiens GI50 17418.07 nM PubChem BioAssay data set
NPT146 Cell Line SK-OV-3 Homo sapiens GI50 12735.03 nM PubChem BioAssay data set
NPT398 Cell Line UACC-62 Homo sapiens GI50 14060.48 nM PubChem BioAssay data set
NPT397 Cell Line NCI-H460 Homo sapiens GI50 16943.38 nM PubChem BioAssay data set
NPT308 Cell Line CAKI-1 Homo sapiens GI50 16826.74 nM PubChem BioAssay data set
NPT400 Cell Line MDA-MB-435 Homo sapiens GI50 17701.09 nM PubChem BioAssay data set
NPT458 Cell Line IGROV-1 Homo sapiens GI50 16180.8 nM PubChem BioAssay data set
NPT399 Cell Line SF-295 Homo sapiens GI50 16292.96 nM PubChem BioAssay data set
NPT402 Cell Line Hs-578T Homo sapiens GI50 38018.94 nM PubChem BioAssay data set
NPT401 Cell Line 786-0 Homo sapiens GI50 16595.87 nM PubChem BioAssay data set
NPT403 Cell Line UACC-257 Homo sapiens GI50 18578.04 nM PubChem BioAssay data set
NPT404 Cell Line CCRF-CEM Homo sapiens GI50 1931.97 nM PubChem BioAssay data set
NPT405 Cell Line NCI-H226 Homo sapiens GI50 17458.22 nM PubChem BioAssay data set
NPT139 Cell Line HT-29 Homo sapiens GI50 29376.5 nM PubChem BioAssay data set
NPT170 Cell Line SK-MEL-28 Homo sapiens GI50 20276.83 nM PubChem BioAssay data set
NPT407 Cell Line COLO 205 Homo sapiens GI50 22029.26 nM PubChem BioAssay data set
NPT406 Cell Line RXF 393 Homo sapiens GI50 16788.04 nM PubChem BioAssay data set

  Similar Natural Products in NPASS

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient

●  The left chart: Distribution of similarity level between NPC208333 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).

Similarity Score Similarity Level Natural Product ID
1.0 High Similarity NPC227879
0.9135 High Similarity NPC472079
0.9057 High Similarity NPC473062
0.901 High Similarity NPC41843
0.8972 High Similarity NPC477489
0.8932 High Similarity NPC34562
0.8889 High Similarity NPC97002
0.8857 High Similarity NPC203974
0.8812 High Similarity NPC472273
0.88 High Similarity NPC470031
0.8738 High Similarity NPC477172
0.8713 High Similarity NPC252056
0.8692 High Similarity NPC236753
0.8692 High Similarity NPC228190
0.8641 High Similarity NPC470030
0.8624 High Similarity NPC477492
0.8614 High Similarity NPC215570
0.8571 High Similarity NPC476837
0.8571 High Similarity NPC139181
0.8571 High Similarity NPC97260
0.8532 High Similarity NPC469824
0.8515 High Similarity NPC191915
0.8515 High Similarity NPC151214
0.8482 Intermediate Similarity NPC179429
0.8462 Intermediate Similarity NPC20028
0.8426 Intermediate Similarity NPC469826
0.8411 Intermediate Similarity NPC215408
0.8381 Intermediate Similarity NPC476838
0.8381 Intermediate Similarity NPC476512
0.8381 Intermediate Similarity NPC476839
0.8381 Intermediate Similarity NPC108227
0.8381 Intermediate Similarity NPC472081
0.835 Intermediate Similarity NPC476728
0.8318 Intermediate Similarity NPC470167
0.8302 Intermediate Similarity NPC470172
0.8302 Intermediate Similarity NPC134967
0.8302 Intermediate Similarity NPC470029
0.8302 Intermediate Similarity NPC114700
0.8302 Intermediate Similarity NPC80191
0.8302 Intermediate Similarity NPC310138
0.8302 Intermediate Similarity NPC310031
0.8269 Intermediate Similarity NPC471241
0.8257 Intermediate Similarity NPC202898
0.8257 Intermediate Similarity NPC92890
0.8257 Intermediate Similarity NPC475319
0.8252 Intermediate Similarity NPC305808
0.8224 Intermediate Similarity NPC471253
0.8224 Intermediate Similarity NPC473406
0.8224 Intermediate Similarity NPC107385
0.8218 Intermediate Similarity NPC77756
0.8182 Intermediate Similarity NPC233433
0.8182 Intermediate Similarity NPC92297
0.8182 Intermediate Similarity NPC273002
0.8182 Intermediate Similarity NPC220836
0.8182 Intermediate Similarity NPC94086
0.8182 Intermediate Similarity NPC473817
0.8182 Intermediate Similarity NPC469825
0.8173 Intermediate Similarity NPC156377
0.8173 Intermediate Similarity NPC296936
0.8155 Intermediate Similarity NPC175
0.8155 Intermediate Similarity NPC30687
0.8148 Intermediate Similarity NPC469827
0.8148 Intermediate Similarity NPC88469
0.8142 Intermediate Similarity NPC79193
0.8095 Intermediate Similarity NPC74466
0.8095 Intermediate Similarity NPC470632
0.8095 Intermediate Similarity NPC470591
0.8077 Intermediate Similarity NPC94582
0.8077 Intermediate Similarity NPC473064
0.8077 Intermediate Similarity NPC473065
0.8077 Intermediate Similarity NPC473067
0.8077 Intermediate Similarity NPC57964
0.8073 Intermediate Similarity NPC306776
0.8073 Intermediate Similarity NPC166079
0.807 Intermediate Similarity NPC475490
0.8058 Intermediate Similarity NPC473726
0.8053 Intermediate Similarity NPC102619
0.8053 Intermediate Similarity NPC73986
0.8039 Intermediate Similarity NPC279329
0.8037 Intermediate Similarity NPC178853
0.8037 Intermediate Similarity NPC475574
0.802 Intermediate Similarity NPC281004
0.8 Intermediate Similarity NPC238796
0.8 Intermediate Similarity NPC126753
0.8 Intermediate Similarity NPC203434
0.8 Intermediate Similarity NPC237071
0.8 Intermediate Similarity NPC142264
0.8 Intermediate Similarity NPC476510
0.7982 Intermediate Similarity NPC100078
0.7982 Intermediate Similarity NPC327093
0.7981 Intermediate Similarity NPC470423
0.7965 Intermediate Similarity NPC243572
0.7963 Intermediate Similarity NPC244969
0.7963 Intermediate Similarity NPC213528
0.7963 Intermediate Similarity NPC471254
0.7961 Intermediate Similarity NPC36372
0.7961 Intermediate Similarity NPC293609
0.7961 Intermediate Similarity NPC52756
0.7949 Intermediate Similarity NPC471406
0.7946 Intermediate Similarity NPC470622
0.7944 Intermediate Similarity NPC80417
0.7941 Intermediate Similarity NPC473472
0.7941 Intermediate Similarity NPC102725
0.7934 Intermediate Similarity NPC114306
0.7934 Intermediate Similarity NPC477490
0.7928 Intermediate Similarity NPC88744
0.7925 Intermediate Similarity NPC475207
0.7925 Intermediate Similarity NPC233649
0.7925 Intermediate Similarity NPC470028
0.7925 Intermediate Similarity NPC210157
0.7921 Intermediate Similarity NPC43912
0.7921 Intermediate Similarity NPC140446
0.7921 Intermediate Similarity NPC202937
0.7885 Intermediate Similarity NPC277774
0.7885 Intermediate Similarity NPC167644
0.7885 Intermediate Similarity NPC161035
0.7885 Intermediate Similarity NPC311246
0.7876 Intermediate Similarity NPC272242
0.7864 Intermediate Similarity NPC473542
0.7864 Intermediate Similarity NPC65550
0.7864 Intermediate Similarity NPC223143
0.7857 Intermediate Similarity NPC473844
0.7857 Intermediate Similarity NPC91583
0.7857 Intermediate Similarity NPC240125
0.7857 Intermediate Similarity NPC51947
0.7857 Intermediate Similarity NPC8431
0.783 Intermediate Similarity NPC475785
0.783 Intermediate Similarity NPC475765
0.7826 Intermediate Similarity NPC470115
0.7826 Intermediate Similarity NPC470116
0.7822 Intermediate Similarity NPC476727
0.7822 Intermediate Similarity NPC476726
0.7822 Intermediate Similarity NPC472272
0.781 Intermediate Similarity NPC477495
0.781 Intermediate Similarity NPC473503
0.781 Intermediate Similarity NPC477224
0.781 Intermediate Similarity NPC113500
0.781 Intermediate Similarity NPC309866
0.781 Intermediate Similarity NPC3538
0.781 Intermediate Similarity NPC252253
0.781 Intermediate Similarity NPC45959
0.7805 Intermediate Similarity NPC477493
0.7798 Intermediate Similarity NPC94919
0.7798 Intermediate Similarity NPC80640
0.7797 Intermediate Similarity NPC472257
0.7788 Intermediate Similarity NPC476668
0.7788 Intermediate Similarity NPC5632
0.7788 Intermediate Similarity NPC59006
0.7788 Intermediate Similarity NPC473830
0.7788 Intermediate Similarity NPC473066
0.7788 Intermediate Similarity NPC106760
0.7788 Intermediate Similarity NPC204881
0.7788 Intermediate Similarity NPC149966
0.7788 Intermediate Similarity NPC473637
0.7788 Intermediate Similarity NPC471431
0.7778 Intermediate Similarity NPC239293
0.7769 Intermediate Similarity NPC273962
0.7768 Intermediate Similarity NPC230888
0.7768 Intermediate Similarity NPC316930
0.7767 Intermediate Similarity NPC131466
0.7767 Intermediate Similarity NPC82955
0.7748 Intermediate Similarity NPC119628
0.7748 Intermediate Similarity NPC158051
0.7748 Intermediate Similarity NPC158367
0.7736 Intermediate Similarity NPC287354
0.7736 Intermediate Similarity NPC17336
0.7736 Intermediate Similarity NPC469710
0.7736 Intermediate Similarity NPC92196
0.7736 Intermediate Similarity NPC62407
0.7731 Intermediate Similarity NPC470478
0.7723 Intermediate Similarity NPC290612
0.7719 Intermediate Similarity NPC11035
0.7719 Intermediate Similarity NPC204392
0.7719 Intermediate Similarity NPC91838
0.7719 Intermediate Similarity NPC275668
0.7719 Intermediate Similarity NPC274833
0.7719 Intermediate Similarity NPC1876
0.7719 Intermediate Similarity NPC240734
0.7714 Intermediate Similarity NPC476669
0.7714 Intermediate Similarity NPC172838
0.7714 Intermediate Similarity NPC474379
0.7714 Intermediate Similarity NPC472231
0.7714 Intermediate Similarity NPC472232
0.7714 Intermediate Similarity NPC137004
0.7714 Intermediate Similarity NPC88962
0.7714 Intermediate Similarity NPC149400
0.7714 Intermediate Similarity NPC144790
0.7714 Intermediate Similarity NPC476189
0.7712 Intermediate Similarity NPC178548
0.7712 Intermediate Similarity NPC258592
0.77 Intermediate Similarity NPC327451
0.77 Intermediate Similarity NPC259173
0.77 Intermediate Similarity NPC472744
0.7699 Intermediate Similarity NPC87393
0.7699 Intermediate Similarity NPC320475
0.7699 Intermediate Similarity NPC477069
0.7699 Intermediate Similarity NPC477070
0.7699 Intermediate Similarity NPC321661
0.7692 Intermediate Similarity NPC156651
0.7692 Intermediate Similarity NPC473304

  Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

●  The left chart: Distribution of similarity level between NPC208333 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

Similarity Score Similarity Level Drug ID Developmental Stage
0.8491 Intermediate Similarity NPD8170 Clinical (unspecified phase)
0.7586 Intermediate Similarity NPD8133 Approved
0.7547 Intermediate Similarity NPD8171 Discontinued
0.75 Intermediate Similarity NPD7736 Approved
0.748 Intermediate Similarity NPD7507 Approved
0.7395 Intermediate Similarity NPD8295 Clinical (unspecified phase)
0.7302 Intermediate Similarity NPD7319 Approved
0.728 Intermediate Similarity NPD8293 Discontinued
0.7241 Intermediate Similarity NPD8132 Clinical (unspecified phase)
0.7203 Intermediate Similarity NPD6882 Approved
0.7203 Intermediate Similarity NPD8297 Approved
0.7177 Intermediate Similarity NPD8328 Phase 3
0.71 Intermediate Similarity NPD6116 Phase 1
0.7097 Intermediate Similarity NPD6370 Approved
0.708 Intermediate Similarity NPD1700 Approved
0.7069 Intermediate Similarity NPD6412 Phase 2
0.703 Intermediate Similarity NPD6697 Approved
0.703 Intermediate Similarity NPD6114 Approved
0.703 Intermediate Similarity NPD6115 Approved
0.703 Intermediate Similarity NPD6118 Approved
0.7025 Intermediate Similarity NPD6940 Discontinued
0.7 Intermediate Similarity NPD6117 Approved
0.6984 Remote Similarity NPD7492 Approved
0.6983 Remote Similarity NPD7128 Approved
0.6983 Remote Similarity NPD6675 Approved
0.6983 Remote Similarity NPD5739 Approved
0.6983 Remote Similarity NPD6402 Approved
0.6967 Remote Similarity NPD6009 Approved
0.6949 Remote Similarity NPD6372 Approved
0.6949 Remote Similarity NPD6373 Approved
0.6935 Remote Similarity NPD8294 Approved
0.6935 Remote Similarity NPD6054 Approved
0.6935 Remote Similarity NPD6059 Approved
0.6935 Remote Similarity NPD8377 Approved
0.6935 Remote Similarity NPD6319 Approved
0.6929 Remote Similarity NPD6616 Approved
0.6911 Remote Similarity NPD7328 Approved
0.6911 Remote Similarity NPD7327 Approved
0.69 Remote Similarity NPD3702 Approved
0.6893 Remote Similarity NPD6928 Phase 2
0.688 Remote Similarity NPD8379 Approved
0.688 Remote Similarity NPD8378 Approved
0.688 Remote Similarity NPD8296 Approved
0.688 Remote Similarity NPD8380 Approved
0.688 Remote Similarity NPD8033 Approved
0.688 Remote Similarity NPD8335 Approved
0.6875 Remote Similarity NPD7078 Approved
0.6864 Remote Similarity NPD6899 Approved
0.6864 Remote Similarity NPD5345 Clinical (unspecified phase)
0.6864 Remote Similarity NPD7320 Approved
0.6864 Remote Similarity NPD6881 Approved
0.686 Remote Similarity NPD4632 Approved
0.6855 Remote Similarity NPD7516 Approved
0.6833 Remote Similarity NPD6650 Approved
0.6833 Remote Similarity NPD8130 Phase 1
0.6833 Remote Similarity NPD6649 Approved
0.68 Remote Similarity NPD6113 Clinical (unspecified phase)
0.678 Remote Similarity NPD5697 Approved
0.678 Remote Similarity NPD5701 Approved
0.6772 Remote Similarity NPD7604 Phase 2
0.6752 Remote Similarity NPD4057 Clinical (unspecified phase)
0.6752 Remote Similarity NPD4056 Clinical (unspecified phase)
0.675 Remote Similarity NPD6883 Approved
0.675 Remote Similarity NPD7290 Approved
0.675 Remote Similarity NPD7102 Approved
0.6746 Remote Similarity NPD6016 Approved
0.6746 Remote Similarity NPD6015 Approved
0.6733 Remote Similarity NPD3703 Phase 2
0.6694 Remote Similarity NPD6847 Approved
0.6694 Remote Similarity NPD6617 Approved
0.6694 Remote Similarity NPD6869 Approved
0.6693 Remote Similarity NPD5988 Approved
0.6667 Remote Similarity NPD6014 Approved
0.6667 Remote Similarity NPD6013 Approved
0.6667 Remote Similarity NPD6012 Approved
0.6667 Remote Similarity NPD8034 Phase 2
0.6667 Remote Similarity NPD8035 Phase 2
0.66 Remote Similarity NPD4808 Clinical (unspecified phase)
0.66 Remote Similarity NPD4809 Clinical (unspecified phase)
0.66 Remote Similarity NPD5777 Approved
0.6583 Remote Similarity NPD6011 Approved
0.6557 Remote Similarity NPD6401 Clinical (unspecified phase)
0.6542 Remote Similarity NPD3669 Approved
0.6542 Remote Similarity NPD3670 Clinical (unspecified phase)
0.6522 Remote Similarity NPD4755 Approved
0.6509 Remote Similarity NPD1780 Approved
0.6509 Remote Similarity NPD1779 Approved
0.65 Remote Similarity NPD4244 Approved
0.65 Remote Similarity NPD4245 Approved
0.65 Remote Similarity NPD4789 Approved
0.6484 Remote Similarity NPD7503 Approved
0.6484 Remote Similarity NPD5983 Phase 2
0.6446 Remote Similarity NPD6686 Approved
0.6439 Remote Similarity NPD6033 Approved
0.6422 Remote Similarity NPD7520 Clinical (unspecified phase)
0.6417 Remote Similarity NPD6008 Approved
0.6412 Remote Similarity NPD6336 Discontinued
0.641 Remote Similarity NPD5285 Approved
0.641 Remote Similarity NPD4696 Approved
0.641 Remote Similarity NPD4700 Approved
0.641 Remote Similarity NPD5286 Approved
0.64 Remote Similarity NPD3698 Phase 2
0.64 Remote Similarity NPD3699 Clinical (unspecified phase)
0.64 Remote Similarity NPD4267 Clinical (unspecified phase)
0.64 Remote Similarity NPD3700 Clinical (unspecified phase)
0.6393 Remote Similarity NPD4061 Clinical (unspecified phase)
0.6379 Remote Similarity NPD6083 Phase 2
0.6379 Remote Similarity NPD6084 Phase 2
0.6357 Remote Similarity NPD6921 Approved
0.6349 Remote Similarity NPD6274 Approved
0.6341 Remote Similarity NPD4634 Approved
0.6328 Remote Similarity NPD7100 Approved
0.6328 Remote Similarity NPD7101 Approved
0.6303 Remote Similarity NPD5225 Approved
0.6303 Remote Similarity NPD4633 Approved
0.6303 Remote Similarity NPD5226 Approved
0.6303 Remote Similarity NPD5224 Approved
0.6303 Remote Similarity NPD5211 Phase 2
0.63 Remote Similarity NPD5361 Clinical (unspecified phase)
0.63 Remote Similarity NPD5360 Phase 3
0.6299 Remote Similarity NPD7115 Discovery
0.6281 Remote Similarity NPD4768 Approved
0.6281 Remote Similarity NPD4767 Approved
0.6275 Remote Similarity NPD6081 Approved
0.625 Remote Similarity NPD6335 Approved
0.625 Remote Similarity NPD5174 Approved
0.625 Remote Similarity NPD5175 Approved
0.6231 Remote Similarity NPD6909 Approved
0.6231 Remote Similarity NPD6908 Approved
0.6218 Remote Similarity NPD5223 Approved
0.621 Remote Similarity NPD5955 Clinical (unspecified phase)
0.6207 Remote Similarity NPD7991 Discontinued
0.6198 Remote Similarity NPD5141 Approved
0.6179 Remote Similarity NPD4730 Approved
0.6179 Remote Similarity NPD4729 Approved
0.6172 Remote Similarity NPD6317 Approved
0.6167 Remote Similarity NPD8086 Approved
0.6167 Remote Similarity NPD8084 Approved
0.6167 Remote Similarity NPD8082 Approved
0.6167 Remote Similarity NPD8139 Approved
0.6167 Remote Similarity NPD8085 Approved
0.6167 Remote Similarity NPD8138 Approved
0.6167 Remote Similarity NPD8083 Approved
0.6136 Remote Similarity NPD6067 Discontinued
0.6124 Remote Similarity NPD6313 Approved
0.6124 Remote Similarity NPD6314 Approved
0.6116 Remote Similarity NPD4754 Approved
0.6116 Remote Similarity NPD8276 Approved
0.6116 Remote Similarity NPD8275 Approved
0.6107 Remote Similarity NPD8513 Phase 3
0.6107 Remote Similarity NPD8515 Approved
0.6107 Remote Similarity NPD8516 Approved
0.6107 Remote Similarity NPD8517 Approved
0.61 Remote Similarity NPD4224 Phase 2
0.608 Remote Similarity NPD5250 Approved
0.608 Remote Similarity NPD5251 Approved
0.608 Remote Similarity NPD5248 Approved
0.608 Remote Similarity NPD5249 Phase 3
0.608 Remote Similarity NPD5247 Approved
0.6068 Remote Similarity NPD5695 Phase 3
0.6066 Remote Similarity NPD8081 Approved
0.605 Remote Similarity NPD5696 Approved
0.605 Remote Similarity NPD7638 Approved
0.6048 Remote Similarity NPD5128 Approved
0.6034 Remote Similarity NPD6399 Phase 3
0.6033 Remote Similarity NPD8300 Approved
0.6033 Remote Similarity NPD8301 Approved
0.6016 Remote Similarity NPD8393 Approved
0.6 Remote Similarity NPD7640 Approved
0.6 Remote Similarity NPD8418 Phase 2
0.6 Remote Similarity NPD3171 Clinical (unspecified phase)
0.6 Remote Similarity NPD1811 Approved
0.6 Remote Similarity NPD7639 Approved
0.6 Remote Similarity NPD1810 Approved
0.5985 Remote Similarity NPD6291 Clinical (unspecified phase)
0.5983 Remote Similarity NPD7748 Approved
0.5968 Remote Similarity NPD5954 Clinical (unspecified phase)
0.5966 Remote Similarity NPD7902 Approved
0.5962 Remote Similarity NPD4758 Discontinued
0.5946 Remote Similarity NPD4788 Approved
0.5932 Remote Similarity NPD6356 Clinical (unspecified phase)
0.5926 Remote Similarity NPD5364 Discontinued
0.5926 Remote Similarity NPD4238 Approved
0.5926 Remote Similarity NPD3671 Phase 1
0.5926 Remote Similarity NPD4802 Phase 2
0.5913 Remote Similarity NPD4753 Phase 2
0.5913 Remote Similarity NPD5328 Approved
0.5906 Remote Similarity NPD5215 Approved
0.5906 Remote Similarity NPD5216 Approved
0.5906 Remote Similarity NPD5217 Approved
0.5902 Remote Similarity NPD7632 Discontinued
0.5897 Remote Similarity NPD4202 Approved
0.5882 Remote Similarity NPD5220 Clinical (unspecified phase)
0.5882 Remote Similarity NPD4697 Phase 3
0.5882 Remote Similarity NPD5221 Approved
0.5882 Remote Similarity NPD5222 Approved
0.5872 Remote Similarity NPD7329 Approved
0.5865 Remote Similarity NPD7532 Clinical (unspecified phase)
0.5865 Remote Similarity NPD4787 Phase 1
0.5846 Remote Similarity NPD6868 Approved

Structure

External Identifiers

PubChem CID   56962372
ChEMBL   CHEMBL3391956
ZINC  

Physicochemical Properties

Molecular Weight:  662.40
ALogP:  -0.802
MLogP:  4.43
XLogP:  5.969
# Rotatable Bonds:  20
Polar Surface Area:  155.28
# H-Bond Aceptor:  10
# H-Bond Donor:  4
# Rings:  7
# Heavy Atoms:  47

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